4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
Compound characteristics
| Compound ID: | 4896-2654 |
| Compound Name: | 4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)C(O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0715 |
| logD: | 3.1 |
| logSw: | -5.2226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.706 |
| InChI Key: | ZYFZHCMGTFQTOE-FQEVSTJZSA-N |